RuntimeError: Job process returned error code 1 Traceback (most recent call last): File "/usr/local/bin/run_openkim_job.py", line 546, in execute_in_place(runner, runner_driver, subject, subject_driver, env) File "/usr/local/bin/run_openkim_job.py", line 396, in execute_in_place raise RuntimeError(f"Job process returned error code {retcode}") RuntimeError: Job process returned error code 1 output/pipeline.stdout: ----------------------- Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']representative atom coordinates = [[0.7062733 0.60730344 0.11593019] [0.3049277 0.59731426 0.11031425] [0.17905292 0.44280565 0.36114226] [0.77560668 0.44111634 0.36802187] [0.46698038 0.75591916 0.35579661] [0.00473958 0.78267701 0.37419522] [0.65255804 0.56730974 0.28257128] [0.27046808 0.57680821 0.46260303] [0.84749796 0.75695644 0.07185028] [0.51169742 0.65704444 0.06101296] [0.7843211 0.43395531 0.03897139] [0.28574231 0.42539828 0.20325201] [0.23140609 0.75613842 0.20749228] [0.97976385 0.51464134 0.33069741]]spacegroup = 14cell = [[8.0381, 0, 0], [0, 8.704, 0], [0.90770480732815, 0, 10.338328278438]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 356, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 379, in propagate self.initialise_lammps(atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 657, in initialise_lammps self.lmp.command('boundary ' + self.lammpsbc(atoms)) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 581, in command self.lib.lammps_command(self.lmp,cmd) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 49, in __exit__ raise self.lmp._lammps_exceptionException: ERROR: Boundary command after simulation box is defined (src/input.cpp:1366)Command exited with non-zero status 1{"realtime":6.52,"usertime":4.72,"systime":5.39,"memmax":338120,"memavg":0} output/kim.log: --------------- 2023-11-15:16:03:31MST * 0 * information * 0x2667210 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:31MST * 1 * information * 0x2667210 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-15:16:03:31MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2667210'.2023-11-15:16:03:31MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:31MST * 0 * information * 0x2667210 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:31MST * 0 * information * 0x26676a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:31MST * 1 * information * 0x26676a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2667210_Collections'.2023-11-15:16:03:31MST * 2 * information * 0x2667210_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x26676a0'.2023-11-15:16:03:31MST * 3 * information * 0x2667210_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:31MST * 1 * information * 0x2667210 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:03:31MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2667210'.2023-11-15:16:03:31MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:31MST * 0 * information * 0x2667210 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:31MST * 0 * information * 0x266a9b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:31MST * 1 * information * 0x266a9b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2667210_Collections'.2023-11-15:16:03:31MST * 2 * information * 0x2667210_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x266a9b0'.2023-11-15:16:03:31MST * 3 * information * 0x2667210_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:31MST * 1 * information * 0x2667210 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:03:31MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2667210'.2023-11-15:16:03:31MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.